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CAS 1122-26-5 2-Methylcyclohexanone oxime molecular structure lightbox
CAS RN: 1122-26-5

2-Methylcyclohexanone oxime

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 250mg / 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1122-26-5
  • Purity/Analytical Methods: >99.0%
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1122-26-5 / (NZ)-N-(2-methylcyclohexylidene)hydroxylamine

N-(2-methylcyclohexylidene)hydroxylamine | SCHEMBL4359123 | DTXSID901304422

Standard CAS: 1122-26-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1122-26-5
Multi CAS
Yes
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
CC\1CCCC/C1=N/O
InChI
InChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7-
InChIKey
MDIFHVYPHRHKLB-FPLPWBNLSA-N
Synonyms
N-(2-methylcyclohexylidene)hydroxylamine SCHEMBL4359123 DTXSID901304422 AKOS017263180

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.85
TPSA
32.59

LogP / Solubility

WLOGP
2.03
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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